3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one

C138H138N24O16 — CID 159194788

IUPAC3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1
InChIInChI=1S/2C23H22N4O3.2C23H24N4O3.C23H22N4O2.C23H24N4O2/c2*1-14(2)26-9-8-24-21(26)17-4-3-5-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(6-7-23)13-29-18;1-14(2)26-9-8-24-21(26)17-6-5-7-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(3,4)13-29-18;1-13(2)26-9-8-24-21(26)17-6-5-7-19(25-17)27-12-14-10-16-18(11-15(14)22(27)29)30-23(3,4)20(16)28;1-14(2)26-9-8-24-21(26)18-4-3-5-20(25-18)27-13-16-10-15-12-23(6-7-23)29-19(15)11-17(16)22(27)28;1-14(2)26-9-8-24-21(26)18-6-5-7-20(25-18)27-13-16-10-15-12-23(3,4)29-19(15)11-17(16)22(27)28/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3;5-11,13,20,28H,12H2,1-4H3;3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3
InChIKeyKONIXGLIDLZBOS-UHFFFAOYSA-N
MW2388.77 g/mol
LogP24.66
Rot. Bonds18

About 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one

3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one (PubChem CID 159194788) has the molecular formula C138H138N24O16 and a molecular weight of 2388.77 g/mol. Its IUPAC name is 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one.

Molecular Properties

Compound Name3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one
PubChem CID159194788
Molecular FormulaC138H138N24O16
Molecular Weight2388.77 g/mol
Exact Mass2387.07
IUPAC Name3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one
SMILESCC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1
InChIInChI=1S/2C23H22N4O3.2C23H24N4O3.C23H22N4O2.C23H24N4O2/c2*1-14(2)26-9-8-24-21(26)17-4-3-5-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(6-7-23)13-29-18;1-14(2)26-9-8-24-21(26)17-6-5-7-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(3,4)13-29-18;1-13(2)26-9-8-24-21(26)17-6-5-7-19(25-17)27-12-14-10-16-18(11-15(14)22(27)29)30-23(3,4)20(16)28;1-14(2)26-9-8-24-21(26)18-4-3-5-20(25-18)27-13-16-10-15-12-23(6-7-23)29-19(15)11-17(16)22(27)28;1-14(2)26-9-8-24-21(26)18-6-5-7-20(25-18)27-13-16-10-15-12-23(3,4)29-19(15)11-17(16)22(27)28/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3;5-11,13,20,28H,12H2,1-4H3;3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3
InChIKeyKONIXGLIDLZBOS-UHFFFAOYSA-N
XLogP24.66
TPSA409.42 Ų
H-Bond Donors1
H-Bond Acceptors34
Rotatable Bonds18
Heavy Atoms178
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002388.77
LogP ≤ 524.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1034

Analyze 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one with MolForge

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Launch Full Analysis

Related Compounds

2,2-difluoro-3-hydroxy-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3,3-difluoro-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-5H-[1,3]dioxolo[4,5-f]isoindol-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclobutane]-7-one;6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[5H-[1,3]dioxolo[4,5-f]isoindole-2,1'-cyclopropane]-7-one
CID 158838584
1-(3-Cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone
CID 157140300
4-[6-[[1-(1,3-benzodioxol-5-yl)cyclopropanecarbonyl]amino]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(5-fluoro-2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[5-(2-methoxyphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide
CID 157147038
1-(3-Cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-cyclohexyloxy-4-pyridinyl)-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-propan-2-yloxyphenyl)ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(1-methylpiperidin-4-yl)oxy-4-pyridinyl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
CID 157165426
1-(3-Cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-(4-cyclohexyloxyphenyl)-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(4-methylpiperazin-1-yl)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[3-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[4-(1-methylpiperidin-4-yl)oxyphenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(4-phenylmethoxyphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(3-piperidin-1-ylphenyl)ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2-piperidin-1-yl-4-pyridinyl)ethanone
CID 157313214
6-[2-[4-(Dimethylamino)phenyl]ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid;7-(1-hydroxyethyl)imidazo[1,2-a]pyridine-5-carboxylic acid;7-isoquinolin-7-yloxyimidazo[1,2-a]pyridine-5-carboxylic acid;7-(2-methoxyphenoxy)imidazo[1,2-a]pyridine-5-carboxylic acid;7-phenoxyimidazo[1,2-a]pyridine-5-carboxylic acid;6-[2-(4-piperidin-1-ylphenyl)ethyl]imidazo[1,2-a]pyridine-5-carboxylic acid
CID 157324489
N-[6-[4-(aminomethyl)phenyl]-2-pyridinyl]-1-(1,3-benzodioxol-5-yl)cyclopropane-1-carboxamide;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-[3-(hydroxymethyl)phenyl]-2-pyridinyl]ethanone;1-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-[5-(2-methoxyphenyl)-2-pyridinyl]ethanone;4-[6-[2-[1-(1,3-benzodioxol-5-yl)cyclopropyl]-2-oxoethyl]-2-pyridinyl]-N,N-dimethylbenzamide;1-(1,3-benzodioxol-5-yl)-N-[6-(2,4,6-trimethylphenyl)-2-pyridinyl]cyclopropane-1-carboxamide;molecular hydrogen
CID 157435264
5-cyclopentyloxy-2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-(dimethylamino)-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-5-propan-2-yloxy-6-pyridin-3-yl-3H-isoindol-1-one;2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-6-pyridin-3-yl-5-(pyrrolidine-1-carbonyl)-3H-isoindol-1-one;methyl 2-[6-(4-cyclopropyl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-oxo-6-pyridin-3-yl-3H-isoindole-5-carboxylate
CID 157507689
7,7-Dimethyl-13-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-8-oxa-2,4,13-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),3,5,10,15-pentaen-14-one;methane;5-methyl-13-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,4,13-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(16),3,5,9,11(15)-pentaen-14-one;13-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[8-oxa-2,4,13-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),3,5,10,15-pentaene-7,1'-cyclopropane]-14-one;5,7,7-trimethyl-13-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-8-oxa-2,4,13-triazatetracyclo[7.7.0.02,6.011,15]hexadeca-1(9),3,5,10,15-pentaen-14-one
CID 157665339
1-[4-(1,1-Dideuterioethoxy)phenyl]-2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]ethanone;1-[4-(1,1-dideuterioethoxy)phenyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(2,2,3,3,4,5,5-heptadeuterio-4-methylpyrrolidin-1-yl)-4-pyridinyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-[2,3,5,6-tetradeuterio-4-(1,1-dideuterioethoxy)phenyl]ethanone;2-[6-(2,3-dimethylimidazol-4-yl)isoquinolin-3-yl]-1-(2,3,5,6-tetradeuterio-4-methylphenyl)ethanone;1-[2-(2,2,3,3,4,5,5-heptadeuterio-4-methylpyrrolidin-1-yl)-4-pyridinyl]-2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]ethanone;2-[6-(3-methylimidazol-4-yl)isoquinolin-3-yl]-1-[2-(2,2,5-trideuterio-5-methylpyrrolidin-1-yl)-4-pyridinyl]ethanone
CID 158409262
4-(8-anilinoimidazo[1,2-a]pyrazin-6-yl)-N-(2-hydroxyethyl)benzamide;3-[8-(cyclopropylamino)imidazo[1,2-a]pyrazin-6-yl]phenol;4-[8-(cyclopropylmethylamino)imidazo[1,2-a]pyrazin-6-yl]-2-methoxyphenol;3-[8-(ethylamino)imidazo[1,2-a]pyrazin-6-yl]phenol;N-phenyl-6-pyridin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158893452
CID 158980630
CID 158980630

Frequently Asked Questions

What is the IUPAC name of 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one?
The IUPAC name of 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one (CID 159194788) is 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one.
What is the SMILES notation for 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one?
The canonical SMILES for 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one is CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)C4O)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC(C)(C)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)C4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1.CC(C)n1ccnc1-c1cccc(N2Cc3cc4c(cc3C2=O)OC2(CC2)CO4)n1.
What is the InChIKey of 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one?
The InChIKey is KONIXGLIDLZBOS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H22N4O3.2C23H24N4O3.C23H22N4O2.C23H24N4O2/c2*1-14(2)26-9-8-24-21(26)17-4-3-5-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(6-7-23)13-29-18;1-14(2)26-9-8-24-21(26)17-6-5-7-20(25-17)27-12-15-10-18-19(11-16(15)22(27)28)30-23(3,4)13-29-18;1-13(2)26-9-8-24-21(26)17-6-5-7-19(25-17)27-12-14-10-16-18(11-15(14)22(27)29)30-23(3,4)20(16)28;1-14(2)26-9-8-24-21(26)18-4-3-5-20(25-18)27-13-16-10-15-12-23(6-7-23)29-19(15)11-17(16)22(27)28;1-14(2)26-9-8-24-21(26)18-6-5-7-20(25-18)27-13-16-10-15-12-23(3,4)29-19(15)11-17(16)22(27)28/h2*3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3;5-11,13,20,28H,12H2,1-4H3;3-5,8-11,14H,6-7,12-13H2,1-2H3;5-11,14H,12-13H2,1-4H3.
What are the key properties of 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one?
3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one has a molecular weight of 2388.77 g/mol, XLogP of 24.66, 18 rotatable bonds, 1 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-dimethyl-7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-2,8-dihydro-[1,4]dioxino[2,3-f]isoindol-6-one;2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;3-hydroxy-2,2-dimethyl-6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]-3,5-dihydrofuro[3,2-f]isoindol-7-one;bis(7-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[2,8-dihydro-[1,4]dioxino[2,3-f]isoindole-3,1'-cyclopropane]-6-one);6-[6-(1-propan-2-ylimidazol-2-yl)-2-pyridinyl]spiro[3,5-dihydrofuro[3,2-f]isoindole-2,1'-cyclopropane]-7-one is sourced from PubChem (CID 159194788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).